2-hexadecyl-3-sulfonyl-butanedioic acid

Systemtic Name: 2-hexadecyl-3-sulfonyl-butanedioic acid Openeye Name: 2-hexadecyl-3-sulfonyl-butanedioic acid CAS Name: 2-hexadecyl-3-sulfonylbutanedioic acid IUPAC Name: 2-hexadecyl-3-sulfonylbutanedioic acid Traditional Name: 2-cetyl-3-sulfonyl-succinic acid Formula: C20H36O6S MolecularWeight: 404.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=S(=O)=O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=S(=O)=O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H36O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19(21)22)18(20(23)24)27(25)26/h17H,2-16H2,1H3,(H,21,22)(H,23,24)